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Chemical ID: 6042762
Chemical ID:
6042762
Name [?]:
5-[(3-methyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)methyl]-N-(p-tolyl)furan-2-carboxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)c2ccc(o2)CN3c4cc(ccc4OCC3=O)C
InChi [?]:
InChI=1/C22H20N2O4/c1-14-3-6-16(7-4-14)23-22(26)20-10-8-17(28-20)12-24-18-11-15(2)5-9-19(18)27-13-21(24)25/h3-11H,12-13H2,1-2H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,28,3,7,21,4,6,13,22,12,19,16,25,2,20,5,14,18,23,11,26,9,8,17,27,10,24,15/E:(3,4)(6,7)/rA:28nCCCCCCCNCOCCCCOCNCCCCCCOCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;d11;s12;d13;s11s14;s14;s16;s17;s18;d19;s20;d21;d18s22;s23;s24;s17s25;d26;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H20N2O4 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3649 |
Area: | 589.63 |
Solvation: | -4.37585 |
Coulombic: | -55.4144 |
Bond Count [?]
All: | 31 |
Single: | 21 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 376.405 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.06 |
LogP (Chemaxon): | 3.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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